Affiliation:
1. Key Laboratory of Applied Surface and Colloid Chemistry Ministry of Education Shaanxi Key Laboratory for Advanced Energy Devices Shaanxi Engineering Lab for Advanced Energy Technology School of Materials Science and Engineering Shaanxi Normal University Xi'an 710119 P. R. China
2. Dalian National Laboratory for Clean Energy iChEM Dalian Institute of Chemical Physics Chinese Academy of Sciences Dalian 116023 P. R. China
Abstract
AbstractTargeted passivation of defects in perovskite is the primary consideration in the design of additives containing functional groups. However, the precise modulation of electron structure in functional groups and the structure‐activity relationship between electronic configuration and performance of perovskite solar cells (PSCs) still need to be explored. In this study, 5‐chloro‐2‐hydroxypyridine derivatives with –NH2 (HNCLP) and –F (HFCLP) end groups are selected to realize the push‐pull electronic structure configuration. Density functional theory demonstrates that, compared with HFCLP, HNCLP with the electron‐donating terminal of –NH2 has a long dipole moment and immobilize the interstitial I3−, and the N side of pyridine with high‐density electron cloud enables strong passivation with undercoordinated Pb2+ ions. The experimental results confirm that HNCLP with optimized electronic configuration emerges strong passivation ability, greatly suppresses the nonradiative recombination of perovskite absorber, and remarkably improves the film crystal quality along with the extraction and transfer process of photogenerated carriers. The HNCLP‐contained PSC exhibits a remarkable efficiency of 24.47%, and HNCLP helps to enhance the moisture‐proof of perovskite film and device storage stability.
Funder
National Natural Science Foundation of China
Subject
General Materials Science,Renewable Energy, Sustainability and the Environment
Cited by
10 articles.
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